srDFT_GW/Data/GW20_G0W0HF_def2SVP.dat

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2019-10-01 19:28:13 +02:00
He 24.32 -1.083224761967576E-002 -1.235673653306658E-002
Ne 20.98 -1.902668872559364E-002 -2.659823101171220E-002
H2 16.24 -6.269891783680807E-003 -6.168812342653466E-003
Li2 5.03 -4.785163780470224E-003 -3.214614203979717E-003
LiH 7.81 -7.009603200185741E-003 -5.492118600393164E-003
FH 15.64 -1.750296415260928E-002 -2.350017323504275E-002
Ar 15.31 -1.634392236606929E-002 -1.896323278735809E-002
H2O 12.27 -1.541097192762067E-002 -1.928137341058958E-002
LiF 10.51 -1.720698189254088E-002 -2.274807786384642E-002
HCl 12.31 -1.485422207707641E-002 -1.607499649763018E-002
BeO 9.63 -1.467433312291085E-002 -1.762186335154722E-002
CO 14.73 -1.143698525921696E-002 -1.249786807813870E-002
N2 16.98 -1.303519474894680E-002 -1.529086807344357E-002
CH4 14.51 -9.205460542169613E-003 -9.827025368782334E-003
BH3 13.42 -7.730451546871704E-003 -7.739381347098398E-003
NH3 10.61 -1.277484992684622E-002 -1.449259429282489E-002
BF 10.98 -7.173173729011380E-003 -6.490582058204054E-003
BN 11.36 -1.149971534339401E-002 -1.260248092353631E-002
SH2 10.07 -1.301770883966854E-002 -1.325901945255763E-002
F2 16.03 -1.854313446302313E-002 -2.497511038084508E-002